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Updated: Jun 13, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

A force field for dynamic Cu-BTC metal-organic framework

Lei Zhao1, Qingyuan Yang, Qintian Ma

  • 1Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing, China.

Journal of Molecular Modeling
|April 29, 2010
PubMed

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